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  • #LHFCALC = .TRUE. ; HFSCREEN = 0.2 ; AEXX = 0.25 #ALGO = D ; TIME = 0.4 ; LDIAG = .TRUE. KPOINTS Automatically generated mesh 0 G 4 4 4 0 0 0 INCAR ## Default
    16 KB (2,157 words) - 14:17, 14 November 2019
  • LHFCALC = .TRUE. ; HFSCREEN = 0.2 ; AEXX = 0.25 ALGO = D ; TIME = 0.4 ; LDIAG = .TRUE. EDIFF = 1.E-6 NBANDS = 8 KPOINTS (see KPOINTS_HSE_bands.6 and README
    7 KB (938 words) - 14:18, 14 November 2019